2-[5-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[5-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-allyl-5-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[5-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-allyl-5-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H22FN5O3S/c1-3-10-28-19(13-20(29)24-17-8-5-9-18(12-17)31-2)26-27-22(28)32-14-21(30)25-16-7-4-6-15(23)11-16/h3-9,11-12H,1,10,13-14H2,2H3,(H,24,29)(H,25,30)